Ⅰ. INTRODUCTIONThe tunneling was not considered in conventional transition state theory (TST). Especially within low reaction temperature the calculation of the conventional TST can bring about obvious errors. In 197...Ⅰ. INTRODUCTIONThe tunneling was not considered in conventional transition state theory (TST). Especially within low reaction temperature the calculation of the conventional TST can bring about obvious errors. In 1979, Kuppermann in his article about TST stressed the state-to-state TST. His theory used the transmission coefficient. On the basis of Kuppermann’s theory it is not difficult to consider the tunneling.展开更多
文摘Ⅰ. INTRODUCTIONThe tunneling was not considered in conventional transition state theory (TST). Especially within low reaction temperature the calculation of the conventional TST can bring about obvious errors. In 1979, Kuppermann in his article about TST stressed the state-to-state TST. His theory used the transmission coefficient. On the basis of Kuppermann’s theory it is not difficult to consider the tunneling.